SCHEMBL10882340

SCHEMBL10882340

COC(=O)C(C)Oc1ccc(Oc2cnc3cc(C(F)(F)F)ccc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SCN9A Q15858 9/20 0.42
▸ HTT P42858 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11304859 0.89 LMNA (0.52) MAPTLMNANPSR1TP53CYP1A2
SCHEMBL10946082 0.88 LMNA (0.53) MAPTLMNANPSR1TP53CYP1A2
Hydrochloric Acid SCHEMBL10946104 0.88 LMNA (0.51) MAPTLMNANPSR1TP53CYP1A2
SCHEMBL733453 0.86 MAPT (0.53) MAPTLMNANPSR1TP53CYP1A2
SCHEMBL11266521 0.85 MAPT (0.53) MAPTLMNANPSR1TP53CYP1A2
SCHEMBL2042610 0.84 MAPT (0.70) MAPTLMNANPSR1TP53CYP1A2
SCHEMBL3088578 0.84 MAPT (0.70) MAPTLMNANPSR1TP53CYP1A2
SCHEMBL30022404 0.84 MAPT (0.70) MAPTLMNANPSR1TP53CYP1A2
SCHEMBL11310987 0.84 MAPT (0.53) MAPTLMNANPSR1TP53CYP1A2
SCHEMBL29371056 0.84 MAPT (0.70) MAPTLMNANPSR1TP53CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56097275-A — — None — — JP disclosed
EP-0042750-B1 QUINOXALINYLOXY ETHERS AS SELECTIVE WEED CONTROL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-30 — — EP disclosed
EP-0046468-A1 Quinoxaline derivatives and herbicidal composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-03-03 — — EP disclosed
EP-0042750-A2 Quinoxalinyloxy ethers as selective weed control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-30 — — EP disclosed
JP-S5697275-A QUINOXALINE DERIVATIVE AND HERBICIDE NISSAN CHEM IND LTD 1981-08-05 — — JP disclosed
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